(E)-3-[3-(3,5-dinitrophenoxy)phenyl]-1-piperidin-1-ylprop-2-en-1-one

Formula:C20H19N3O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3-(3,5-dinitrophenoxy)phenyl]-1-piperidin-1-ylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-[3-(3,5-dinitrophenoxy)phenyl]-1-piperidin-1-ylprop-2-en-1-one
MolecularFormula	C20H19N3O6
Smiles	[O-][N+](c1cc([N+]([O-])=O)cc(Oc2cc(/C=C/C(N3CCCCC3)=O)ccc2)c1)=O
InChI	InChI=1S/C20H19N3O6/c24-20(21-9-2-1-3-10-21)8-7-15-5-4-6-18(11-15)29-19-13-16(22(25)26)12-17(14-19)23(27)28/h4-8,11-14H,1-3,9-10H2
InChIK	HYFIYKVRYGGGJS-UHFFFAOYSA-N
TotalMolweight	397.386
Molweight	397.386
MonoisotopicMass	397.127387
CLogP	2.3795
CLogS	-5.802
H Acceptors	9
TotalSurfaceArea	300.21
Relative PSA	0.29123
PolarSurfaceArea	121.18
Druglikeness	-4.7311
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	7
Amides	1
AcidicOxygens	2
StereoCon

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